1228095-71-3
METHYL (2S,4R)-1-[(2-BENZYL-1-OXO-1,2-DIHYDROISOQUINOLIN-4-YL)METHYL]-4-HYDROXYPYRROLIDINE-2-CARBOXYLATE
NameMETHYL (2S,4R)-1-[(2-BENZYL-1-OXO-1,2-DIHYDROISOQUINOLIN-4-YL)METHYL]-4-HYDROXYPYRROLIDINE-2-CARBOXYLATE
1Identification
【Name】
METHYL (2S,4R)-1-[(2-BENZYL-1-OXO-1,2-DIHYDROISOQUINOLIN-4-YL)METHYL]-4-HYDROXYPYRROLIDINE-2-CARBOXYLATE
【CAS】
【MDL】
MFCD16883044
【English Synonyms】
【Formula】
C23 H24 N2 O4
【MolWeight】
392.453
【Inchi】
InChI=1S/C23H24N2O4/c1-29-23(28)21-11-18(26)15-24(21)13-17-14-25(12-16-7-3-2-4-8-16)22(27)20-10-6-5-9-19(17)20/h2-10,14,18,21,26H,11-13,15H2,1H3/t18-,21+/m1/s1
【InChIKey】
InChIKey=ABLYHDUSQXBHSP-NQIIRXRSSA-N
【SMILES】
COC(=O)[C@@H]1C[C@H](CN1Cc2cn(c(=O)c3c2cccc3)Cc4ccccc4)O
【MOL File】
METHYL (2S,4R)-1-[(2….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
METHYL (2S,4R)-1-[(2-BENZYL-1-OXO-1,2-DIHYDROISOQUINOLIN-4-YL)METHYL]-4-HYDROXYPYRROLIDINE-2-CARBOXYLATE.cml